N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3,4-dimethoxyphenyl)acrylamide
Chemical Structure Depiction of
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3,4-dimethoxyphenyl)acrylamide
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3,4-dimethoxyphenyl)acrylamide
Compound characteristics
| Compound ID: | 4272-0009 |
| Compound Name: | N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3,4-dimethoxyphenyl)acrylamide |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C21 H18 N4 O3 S |
| Smiles: | COc1ccc(/C=C(/C#N)C(Nc2nnc(Cc3ccccc3)s2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.86 |
| logD: | 2.56 |
| logSw: | -4.99 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 161.79 |
| InChI Key: | DLIOPRKAYDWHFU-UHFFFAOYSA-N |